NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 N 4.5890 8.4201 119.1931 53.2183 41.0853 175.0154 17 A 4.1691 7.4179 119.7794 53.0070 20.0652 177.4989 18 A 4.1920 8.3285 118.6486 54.7777 19.5116 176.1661 19 D 4.6717 8.0709 113.6797 54.8899 41.8593 177.2182 20 G 4.2619 7.5821 110.7669 44.8126 0.0000 173.6491 21 I 4.3374 8.1825 110.0766 60.6472 39.7479 177.5921 22 F 4.3171 8.0625 119.6718 59.5928 39.0653 177.5405 23 F 4.1970 8.2626 120.2230 60.7805 39.4378 175.2662 24 P 4.1799 0.0000 0.0000 64.8939 30.8330 178.1395 25 A 3.9052 7.2604 120.2068 55.2572 18.4478 179.1411 26 L 4.1811 7.2388 114.5437 57.2278 41.9010 178.8696 27 E 4.1661 7.9429 118.9243 58.4213 29.5311 177.3760 28 Q 4.5361 7.3656 115.3789 55.5030 29.2401 175.1086 29 N 4.6069 7.9162 116.4381 53.0426 39.7167 175.0392 30 M 4.1614 8.5249 121.6223 58.1705 31.6866 176.6092 31 M 4.4118 7.7662 118.2392 54.1088 33.3165 176.8562 32 G 3.8241 8.5084 109.6073 46.7783 0.0000 172.7410 33 A 4.8724 8.1833 122.1730 50.7751 22.1740 175.5911 34 V 4.4983 8.5270 122.4675 60.9003 33.7485 173.9623 35 L 5.5039 9.0012 130.3241 53.1294 44.0234 175.0250 36 I 5.2343 8.4291 118.0841 59.2959 41.5474 175.2100 37 N 4.6290 8.6273 122.2891 51.3762 39.3460 175.3646 38 E 3.8957 8.1219 115.0430 59.3755 28.2884 177.0715 39 N 4.7097 8.0724 115.9824 52.7848 38.8943 174.7486 40 D 4.4341 7.9128 116.0684 55.3567 39.3182 172.7325 41 E 4.8539 7.3565 116.3900 54.3858 31.1864 175.8092 42 V 3.8895 8.2818 124.1979 63.3580 30.8967 175.8074 43 M 4.5614 8.4841 125.0363 56.0790 31.9835 176.1893 44 F 5.0436 7.9845 121.7865 57.0721 43.4327 173.3401 45 F 4.9319 7.8751 125.5934 58.1763 40.4841 172.9331 46 N 4.3143 7.3402 122.7324 51.0273 38.3065 174.5515 47 P 4.4030 0.0000 0.0000 65.4356 30.8243 178.8458 48 A 3.9840 7.9449 119.3610 54.9003 18.4785 179.1512 49 A 4.1352 7.5547 118.5975 54.6362 18.2197 179.6169 50 E 4.8995 7.4718 117.7059 58.7917 29.2589 179.2608 51 K 4.1299 7.9122 117.3744 58.6804 32.4790 178.9475 52 L 4.0174 7.4174 117.4412 57.6034 42.0480 179.0487 53 W 4.4778 8.4630 117.8160 56.8104 29.0235 178.2242 54 G 3.7872 7.9248 105.8956 46.0057 0.0000 172.4680 55 Y 4.8681 7.8333 116.5567 55.7858 39.6947 175.9201 56 K 4.7717 8.4488 122.7119 55.6235 33.3689 178.3218 57 R 4.0437 8.3886 119.0448 59.7007 29.5832 178.5521 58 E 4.0427 8.0880 117.2765 58.9370 29.6327 178.2590 59 E 4.0792 7.7104 116.5575 57.6325 29.7803 177.4285 60 V 3.6587 7.1683 117.7751 63.4939 33.1767 175.6351 61 I 4.3587 6.5792 120.0319 61.7147 37.2988 175.8870 62 G 3.9629 9.0633 113.7810 45.2516 0.0000 173.1976 63 N 4.6505 7.3852 116.9079 51.5111 40.3160 174.0915 64 N 4.9106 8.1177 117.8163 53.2691 39.8009 175.6432 65 I 3.7513 8.0721 121.2194 63.6692 37.9084 177.6625 66 D 4.5053 7.9770 119.6454 56.4288 40.9437 178.0923 67 M 4.0534 7.3428 115.9822 57.7767 31.3015 177.3846 68 L 4.2210 7.3794 116.8625 55.2274 42.2103 176.8015 69 I 4.2732 6.9584 119.6095 59.3646 38.1674 174.1650 70 P 4.6329 0.0000 0.0000 62.7030 31.8758 177.7663 71 R 3.9864 8.4526 117.3771 59.3344 29.1595 178.7467 72 D 4.5270 8.0973 118.2237 54.9603 39.8800 176.9695 73 L 4.5263 7.3628 120.5583 55.0826 41.6068 177.8996 74 R 3.9280 7.5949 116.9953 59.5875 29.7724 176.9647 75 P 4.2793 0.0000 0.0000 64.7142 31.6613 176.8926 76 A 4.1518 7.2627 116.7860 53.1676 20.2862 178.5725 77 H 4.0561 7.8092 115.9622 58.7529 29.7277 175.5990 78 P 4.2883 0.0000 0.0000 65.4392 30.9755 178.1437 79 E 4.0332 7.8172 116.7283 58.8489 28.9948 178.5505 80 Y 4.3694 7.0743 115.8494 61.1452 37.7753 178.3576 81 I 3.6900 7.6165 120.5398 64.2502 37.0983 178.4547 82 R 3.9247 7.7809 119.7789 59.6731 29.4024 178.0893 83 H 4.2097 8.0931 118.2632 59.2918 29.2243 176.8230 84 N 4.3967 8.0144 117.7460 56.3988 38.5063 177.1454 85 R 4.3315 7.6784 119.2671 58.9852 30.3427 178.1290 86 E 4.3171 7.9041 116.8101 57.9619 29.6563 179.0848 87 G 3.6480 7.5016 105.5301 47.8253 0.0000 174.2146 88 G 3.7916 8.0452 116.1255 41.0000 0.0000 173.2795 89 K 3.8364 8.4637 116.9865 57.1734 29.9975 175.4983 90 A 3.5729 9.0454 116.7881 52.7492 16.2038 175.0170 91 R 3.7205 7.9107 125.8835 57.6166 30.1560 176.4650 92 V 4.2772 8.0442 124.1900 60.0904 31.6912 177.6600 93 E 3.1208 6.7771 121.6812 55.0792 32.8303 181.0661 94 G 4.3968 7.9135 114.5049 46.5904 0.0000 175.1173 95 M 4.7146 6.2234 122.0445 54.3766 35.1977 172.9210 96 S 5.0099 8.3887 113.5893 56.7294 65.4475 172.8105 97 R 4.6308 8.4707 120.6553 55.6806 33.3166 173.1584 98 E 5.3780 8.6509 118.9449 54.7565 30.5926 176.1398 99 L 4.9576 8.6512 123.0528 52.8738 46.3765 175.8159 100 Q 3.4708 8.0616 123.6325 54.7101 28.7722 174.8091 101 L 4.1076 8.1308 129.4722 54.6947 43.5024 174.9017 102 E 4.8006 8.6235 126.6005 54.4723 31.7320 175.9798 103 K 4.5533 8.4061 126.6912 55.2218 33.8136 177.7816 104 K 3.8155 7.9745 120.5698 59.7507 31.8247 177.8589 105 D 4.4073 7.7930 115.7049 54.1043 39.6903 176.6989 106 G 4.0337 7.5601 107.4777 45.4645 0.0000 174.3287 107 S 4.3718 7.8307 113.8131 58.1187 63.7231 173.0017 108 K 5.0790 8.2499 119.6372 54.5514 35.3460 175.8799 109 I 4.6476 8.0689 117.5177 58.7978 41.2973 174.5873 110 W 4.8571 8.6888 123.4773 56.4849 31.0948 175.5821 111 T 5.2089 8.6940 112.0578 60.5841 72.2203 172.3486 112 R 4.8892 8.5687 120.4431 55.0614 32.4715 174.9554 113 F 4.4828 9.2419 124.9810 57.1718 40.5840 175.3781 114 A 5.1539 8.3670 121.6154 50.6666 19.3819 174.9989 115 L 4.5012 8.6885 124.2116 54.9345 44.3362 176.3546 116 S 4.8416 8.7616 121.3222 57.0867 67.1521 173.4458 117 K 4.6298 8.5197 128.0124 56.3565 32.9954 177.0268 118 V 4.3116 8.1334 126.2547 60.3753 34.0630 174.2066 119 S 4.8090 8.7102 122.0530 57.9592 63.7333 174.4289 120 A 4.2961 8.8916 126.7739 52.3691 21.6418 176.1778 121 E 3.4539 9.5965 123.4476 57.9213 26.6609 175.9249 122 G 3.8943 8.5713 105.1356 45.5711 0.0000 173.8493 123 K 4.4883 7.5839 118.7241 54.4335 34.7252 174.6740 124 V 4.4410 7.7336 118.9191 61.5559 33.8004 173.8410 125 Y 5.0318 8.1623 123.5040 55.5486 43.0501 173.8705 126 Y 5.0930 8.4504 116.5622 57.1099 42.4489 173.9650 127 L 5.2039 9.1236 127.0443 53.3571 44.0968 174.7875 128 A 4.9304 8.7160 129.0772 50.4648 20.9297 175.3794 129 L 4.8829 8.2918 122.4460 54.3601 43.1658 176.4294 130 V 4.3858 8.3781 123.7187 60.0612 34.9738 174.3987 131 R 4.8235 7.9259 121.0979 54.5554 33.6350 172.8600 132 D 4.8433 8.5575 118.7270 53.2314 41.9846 175.8247 133 A 4.9558 8.3085 127.0098 51.6764 18.5219 176.1844 134 S 4.3490 7.9004 119.3448 58.9795 63.1742 174.1900 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 16 N 8.42 4.59 0.00 2.65 2.82 0.00 0.00 6.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.42 4.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.33 4.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.07 4.67 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.58 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.18 4.34 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.27 0.79 0.00 0.00 22 F 8.06 4.32 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.26 4.20 0.00 3.05 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.18 0.00 2.29 2.36 0.00 3.81 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 25 A 7.26 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.24 4.18 0.00 1.51 1.80 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.94 4.17 0.00 1.21 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 28 Q 7.37 4.54 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 29 N 7.92 4.61 0.00 2.90 2.89 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.52 4.16 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 31 M 7.77 4.41 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 32 G 8.51 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.18 4.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.53 4.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.98 0.00 0.00 35 L 9.00 5.50 0.00 2.02 1.75 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.43 5.23 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.21 1.00 0.00 0.00 37 N 8.63 4.63 0.00 2.78 3.15 0.00 0.00 6.69 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.12 3.90 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 39 N 8.07 4.71 0.00 2.91 2.83 0.00 0.00 7.19 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.91 4.43 0.00 3.06 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.36 4.85 0.00 2.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 42 V 8.28 3.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.83 0.00 0.00 43 M 8.48 4.56 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 44 F 7.98 5.04 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.88 4.93 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.34 4.31 0.00 2.79 2.44 0.00 0.00 6.13 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.40 0.00 2.13 2.13 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 48 A 7.94 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.55 4.14 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.47 4.90 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.44 0.00 51 K 7.91 4.13 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 52 L 7.42 4.02 0.00 1.56 1.32 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.46 4.48 0.00 4.09 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.83 4.87 0.00 3.11 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.45 4.77 0.00 1.94 1.79 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.49 7.81 57 R 8.39 4.04 0.00 2.22 1.98 0.00 3.13 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 58 E 8.09 4.04 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 59 E 7.71 4.08 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 V 7.17 3.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 61 I 6.58 4.36 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.06 0.97 0.00 0.00 62 G 9.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.39 4.65 0.00 2.66 2.61 0.00 0.00 6.47 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.12 4.91 0.00 2.75 2.62 0.00 0.00 6.51 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.07 3.75 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.92 0.00 0.00 66 D 7.98 4.51 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.34 4.05 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 68 L 7.38 4.22 0.00 1.44 1.28 0.39 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 69 I 6.96 4.27 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.89 0.00 0.00 70 P 0.00 4.63 0.00 2.29 1.95 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 71 R 8.45 3.99 0.00 2.07 2.20 0.00 2.77 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 72 D 8.10 4.53 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.36 4.53 0.00 1.68 1.68 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.59 3.93 0.00 2.12 1.94 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 75 P 0.00 4.28 0.00 1.99 2.08 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 76 A 7.26 4.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.81 4.06 0.00 3.36 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.29 0.00 2.13 2.06 0.00 3.44 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.47 0.00 79 E 7.82 4.03 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 80 Y 7.07 4.37 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.62 3.69 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.98 0.00 0.00 82 R 7.78 3.92 0.00 2.02 1.94 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 83 H 8.09 4.21 0.00 3.22 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.01 4.40 0.00 3.07 2.88 0.00 0.00 7.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.68 4.33 0.00 1.99 2.01 0.00 3.28 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.04 0.00 86 E 7.90 4.32 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 87 G 7.50 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.05 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.46 3.84 0.00 1.94 1.94 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.43 7.81 90 A 9.05 3.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.91 3.72 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 92 V 8.04 4.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 93 E 6.78 3.12 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 94 G 7.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 6.22 4.71 0.00 1.91 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 96 S 8.39 5.01 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.47 4.63 0.00 1.94 2.01 0.00 3.01 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 98 E 8.65 5.38 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 99 L 8.65 4.96 0.00 1.31 1.29 0.37 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.06 3.47 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 101 L 8.13 4.11 0.00 1.65 1.38 -0.36 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.62 4.80 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 103 K 8.41 4.55 0.00 1.99 1.77 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.29 7.81 104 K 7.97 3.82 0.00 0.79 1.45 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.33 7.81 105 D 7.79 4.41 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.56 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.83 4.37 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.25 5.08 0.00 1.51 1.50 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.33 7.81 109 I 8.07 4.65 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.87 0.00 0.00 110 W 8.69 4.86 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.69 5.21 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 112 R 8.57 4.89 0.00 1.95 1.84 0.00 3.13 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 113 F 9.24 4.48 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.37 5.15 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.69 4.50 0.00 1.92 1.65 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.76 4.84 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.52 4.63 0.00 2.04 1.76 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.06 7.81 118 V 8.13 4.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.82 0.00 0.00 119 S 8.71 4.81 0.00 3.77 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.89 4.30 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.60 3.45 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 122 G 8.57 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.58 4.49 0.00 1.87 1.45 0.00 1.68 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.34 7.81 124 V 7.73 4.44 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.86 0.00 0.00 125 Y 8.16 5.03 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.45 5.09 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.12 5.20 0.00 1.86 1.61 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.72 4.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.29 4.88 0.00 1.67 1.60 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.38 4.39 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 -0.04 0.00 0.00 131 R 7.93 4.82 0.00 1.82 1.92 0.00 2.99 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 132 D 8.56 4.84 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.31 4.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.90 4.35 0.00 4.10 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00